QSAR IN TOXICOLOGY .1. PREDICTION OF AQUATIC TOXICITY

A critical review is given of quantitative and qualitative structure-a ctivity relationships (QSAR) for the prediction of some acute aquatic toxicological endpoints. Consideration is given to sources of biologic al data and, as in all areas of toxicology, there is concern over the validity, quality and quantity of toxicological data to model. Despite these problems it is now possible to predict the acute aquatic toxici ty of unreactive chemicals to many species with considerable accuracy. Predictions for other mechanisms of toxic action become less accurate as more specific toxicities are investigated. Surprisingly little wor k has been performed on the prediction of toxicity of inorganic elemen ts and their complexes, to both aquatic species and other organisms.